Selvakumar R, Bakthadoss M, Lakshmanan D, Murugavel S
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2126. doi: 10.1107/S160053681202661X. Epub 2012 Jun 16.
In the title compound, C(17)H(15)NO(2)S, the seven-membered thia-zepine ring adopts a distorted twist-boat conformation. The dihedral angle between the mean planes of the benzothia-zepin ring system and the attached benzene ring is 47.7 (1)°. In the crystal, pairs of N-H⋯O hydrogen bonds link inversion-related mol-ecules into dimers, generating R(2) (2)(8) ring motifs. These dimers are further connected into a chain along the a axis by C-H⋯O hydrogen bonds, resulting in R(2) (2)(14) ring motifs. The crystal packing also features C-H⋯π inter-actions.
在标题化合物C₁₇H₁₅NO₂S中，七元硫氮杂环庚烷环呈扭曲的扭船构象。苯并硫氮杂环庚烷环系的平均平面与相连苯环之间的二面角为47.7 (1)°。在晶体中，N-H⋯O氢键对将反演相关的分子连接成二聚体，形成R₂²(8)环模式。这些二聚体通过C-H⋯O氢键沿a轴进一步连接成链，形成R₂²(14)环模式。晶体堆积还具有C-H⋯π相互作用。
